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QMCPACK
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QMCPACK
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This is the complete list of members for kSpaceJastrow, including all inherited members.
| acceptMove(ParticleSet &P, int iat, bool safe_to_delay=false) override | kSpaceJastrow | virtual |
| acquireResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | WaveFunctionComponent | inlinevirtual |
| BufferType typedef | WaveFunctionComponent | |
| Bytes_in_WFBuffer | WaveFunctionComponent | |
| CellVolume | kSpaceJastrow | private |
| checkInVariablesExclusive(opt_variables_type &active) final | kSpaceJastrow | virtual |
| checkOutVariables(const opt_variables_type &active) override | kSpaceJastrow | virtual |
| checkSanity() const | WaveFunctionComponent | inlinevirtual |
| completeUpdates() | WaveFunctionComponent | inlinevirtual |
| ComplexType typedef | kSpaceJastrow | private |
| copyFrom(const kSpaceJastrow &old) | kSpaceJastrow | private |
| copyFromBuffer(ParticleSet &P, WFBufferType &buf) override | kSpaceJastrow | virtual |
| createResource(ResourceCollection &collection) const | WaveFunctionComponent | inlinevirtual |
| CRYSTAL enum value | kSpaceJastrow | |
| Delta_e2iGr | kSpaceJastrow | private |
| DIM enum value | QMCTraits | |
| DIM_VGL enum value | QMCTraits | |
| Equivalent(PosType G1, PosType G2) | kSpaceJastrow | private |
| evalGrad(ParticleSet &P, int iat) override | kSpaceJastrow | virtual |
| evalGradSource(ParticleSet &P, ParticleSet &source, int iat) | WaveFunctionComponent | inlinevirtual |
| evalGradSource(ParticleSet &P, ParticleSet &source, int iat, TinyVector< ParticleSet::ParticleGradient, OHMMS_DIM > &grad_grad, TinyVector< ParticleSet::ParticleLaplacian, OHMMS_DIM > &lapl_grad) | WaveFunctionComponent | inlinevirtual |
| evalGradWithSpin(ParticleSet &P, int iat, ComplexType &spingrad) | WaveFunctionComponent | inlinevirtual |
| evaluateDerivatives(ParticleSet &P, const opt_variables_type &active, Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi) override | kSpaceJastrow | |
| qmcplusplus::WaveFunctionComponent::evaluateDerivatives(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi)=0 | WaveFunctionComponent | pure virtual |
| evaluateDerivativesWF(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi) | WaveFunctionComponent | virtual |
| evaluateDerivRatios(const VirtualParticleSet &VP, const opt_variables_type &optvars, std::vector< ValueType > &ratios, Matrix< ValueType > &dratios) | WaveFunctionComponent | virtual |
| evaluateGL(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L, bool fromscratch) | WaveFunctionComponent | virtual |
| evaluateGradDerivatives(const ParticleSet::ParticleGradient &G_in, std::vector< ValueType > &dgradlogpsi) | WaveFunctionComponent | inlinevirtual |
| evaluateHessian(ParticleSet &P, HessVector &grad_grad_psi_all) | WaveFunctionComponent | inlinevirtual |
| evaluateLog(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L) override | kSpaceJastrow | virtual |
| evaluateRatios(const VirtualParticleSet &VP, std::vector< ValueType > &ratios) | WaveFunctionComponent | virtual |
| evaluateRatiosAlltoOne(ParticleSet &P, std::vector< ValueType > &ratios) override | kSpaceJastrow | |
| qmcplusplus::WaveFunctionComponent::evaluateRatiosAlltoOne(ParticleSet &P, std::vector< ValueType > &ratios) | WaveFunctionComponent | virtual |
| evaluateSpinorRatios(const VirtualParticleSet &VP, const std::pair< ValueVector, ValueVector > &spinor_multiplier, std::vector< ValueType > &ratios) | WaveFunctionComponent | virtual |
| extractOptimizableObjectRefs(UniqueOptObjRefs &opt_obj_refs) override | kSpaceJastrow | inlinevirtual |
| finalizeOptimization() | WaveFunctionComponent | inlinevirtual |
| FullPrecRealType typedef | QMCTraits | |
| FullPrecValueType typedef | QMCTraits | |
| get_log_value() const | WaveFunctionComponent | inline |
| getClassName() const override | kSpaceJastrow | inlinevirtual |
| qmcplusplus::getName() const | WaveFunctionComponent | inline |
| qmcplusplus::OptimizableObject::getName() const | OptimizableObject | inline |
| getValue() const | WaveFunctionComponent | inline |
| GradMatrix typedef | WaveFunctionComponent | |
| GradType typedef | QMCTraits | |
| HessType typedef | WaveFunctionComponent | |
| HessVector typedef | WaveFunctionComponent | |
| IndexType typedef | QMCTraits | |
| Ion_rhoG | kSpaceJastrow | private |
| Ions | kSpaceJastrow | private |
| isFermionic() const | WaveFunctionComponent | inlinevirtual |
| isMultiDet() const | WaveFunctionComponent | inlinevirtual |
| isOptimizable() const override | kSpaceJastrow | inlinevirtual |
| isOptimized() const | OptimizableObject | inline |
| ISOTROPIC enum value | kSpaceJastrow | |
| KECorrection() | WaveFunctionComponent | virtual |
| kSpaceJastrow(const ParticleSet &ions, ParticleSet &elecs, SymmetryType oneBodySymm, RealType oneBodyCutoff, std::string onebodyid, bool oneBodySpin, SymmetryType twoBodySymm, RealType twoBodyCutoff, std::string twobodyid, bool twoBodySpin) | kSpaceJastrow | |
| kSpaceJastrow(const ParticleSet &ions) | kSpaceJastrow | |
| log_value_ | WaveFunctionComponent | protected |
| LogValue typedef | WaveFunctionComponent | |
| makeClone(ParticleSet &tqp) const override | kSpaceJastrow | virtual |
| mw_accept_rejectMove(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, const std::vector< bool > &isAccepted, bool safe_to_delay=false) const | WaveFunctionComponent | virtual |
| mw_calcRatio(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios) const | WaveFunctionComponent | virtual |
| mw_completeUpdates(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | WaveFunctionComponent | virtual |
| mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const int iat, TWFGrads< CT > &grads_now) const | WaveFunctionComponent | |
| mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< GradType > &grad_now) const | WaveFunctionComponent | virtual |
| mw_evalGradWithSpin(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< GradType > &grad_now, std::vector< ComplexType > &spingrad_now) const | WaveFunctionComponent | virtual |
| mw_evaluateGL(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const RefVector< ParticleSet::ParticleGradient > &G_list, const RefVector< ParticleSet::ParticleLaplacian > &L_list, bool fromscratch) const | WaveFunctionComponent | virtual |
| mw_evaluateLog(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const RefVector< ParticleSet::ParticleGradient > &G_list, const RefVector< ParticleSet::ParticleLaplacian > &L_list) const | WaveFunctionComponent | virtual |
| mw_evaluateRatios(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< const VirtualParticleSet > &vp_list, std::vector< std::vector< ValueType >> &ratios) const | WaveFunctionComponent | virtual |
| mw_prepareGroup(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int ig) const | WaveFunctionComponent | virtual |
| mw_ratioGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, TWFGrads< CT > &grad_new) const | WaveFunctionComponent | |
| mw_ratioGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, std::vector< GradType > &grad_new) const | WaveFunctionComponent | virtual |
| mw_ratioGradWithSpin(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, std::vector< GradType > &grad_new, std::vector< ComplexType > &spingrad_new) const | WaveFunctionComponent | virtual |
| mw_recompute(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const std::vector< bool > &recompute) const | WaveFunctionComponent | virtual |
| my_name_ | WaveFunctionComponent | protected |
| myVars | WaveFunctionComponent | |
| NormConstant | kSpaceJastrow | private |
| NOSYMM enum value | kSpaceJastrow | |
| num_elecs | kSpaceJastrow | private |
| NumIons | kSpaceJastrow | private |
| NumIonSpecies | kSpaceJastrow | private |
| NumSpins | kSpaceJastrow | private |
| OneBody_e2iGr | kSpaceJastrow | private |
| OneBody_rhoG | kSpaceJastrow | private |
| OneBodyCoefs | kSpaceJastrow | private |
| OneBodyGvecs | kSpaceJastrow | private |
| OneBodyID | kSpaceJastrow | private |
| OneBodyPhase | kSpaceJastrow | private |
| OneBodySymmCoefs | kSpaceJastrow | private |
| OneBodySymmType | kSpaceJastrow | private |
| OneBodyVarMap | kSpaceJastrow | private |
| operator()(PosType G1, PosType G2) | kSpaceJastrow | |
| OptimizableObject(const std::string &name) | OptimizableObject | inline |
| ORB_ALLWALKER enum value | WaveFunctionComponent | |
| ORB_PBYP_ALL enum value | WaveFunctionComponent | |
| ORB_PBYP_PARTIAL enum value | WaveFunctionComponent | |
| ORB_PBYP_RATIO enum value | WaveFunctionComponent | |
| ORB_WALKER enum value | WaveFunctionComponent | |
| PosType typedef | QMCTraits | |
| Prefactor | kSpaceJastrow | private |
| prepareGroup(ParticleSet &P, int ig) | WaveFunctionComponent | inlinevirtual |
| printOneBody(std::ostream &os) | kSpaceJastrow | |
| printTwoBody(std::ostream &os) | kSpaceJastrow | |
| PropertySetType typedef | QMCTraits | |
| PsiValue typedef | WaveFunctionComponent | |
| PtclGrpIndexes typedef | QMCTraits | |
| put(xmlNodePtr cur) | kSpaceJastrow | |
| QTBase typedef | QMCTraits | |
| QTFull typedef | QMCTraits | |
| ratio(ParticleSet &P, int iat) override | kSpaceJastrow | virtual |
| ratioGrad(ParticleSet &P, int iat, GradType &grad_iat) override | kSpaceJastrow | virtual |
| ratioGradWithSpin(ParticleSet &P, int iat, GradType &grad_iat, ComplexType &spingrad_iat) | WaveFunctionComponent | inlinevirtual |
| readVariationalParameters(hdf_archive &hin) | OptimizableObject | inlinevirtual |
| RealMatrix_t typedef | WaveFunctionComponent | |
| RealType typedef | QMCTraits | |
| recompute(const ParticleSet &P) | WaveFunctionComponent | virtual |
| registerData(ParticleSet &P, WFBufferType &buf) override | kSpaceJastrow | virtual |
| registerTWFFastDerivWrapper(const ParticleSet &P, TWFFastDerivWrapper &twf) const | WaveFunctionComponent | virtual |
| releaseResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | WaveFunctionComponent | inlinevirtual |
| reportStatus(std::ostream &os) | OptimizableObject | inlinevirtual |
| resetParametersExclusive(const opt_variables_type &active) final | kSpaceJastrow | virtual |
| restore(int iat) override | kSpaceJastrow | virtual |
| setCoefficients(std::vector< RealType > &oneBodyCoefs, std::vector< RealType > &twoBodyCoefs) | kSpaceJastrow | |
| setOptimization(bool state) | OptimizableObject | inline |
| setupCoefs() | kSpaceJastrow | private |
| setupGvecs(RealType kcut, std::vector< PosType > &gvecs, bool useStructFact) | kSpaceJastrow | private |
| sortGvecs(std::vector< PosType > &gvecs, std::vector< kSpaceCoef< T >> &coefs, SymmetryType symm) | kSpaceJastrow | private |
| StructureFactor(PosType G, std::vector< ComplexType > &rho_G) | kSpaceJastrow | private |
| SymmetryType enum name | kSpaceJastrow | |
| TensorType typedef | QMCTraits | |
| TwoBody_e2iGr_new | kSpaceJastrow | private |
| TwoBody_e2iGr_old | kSpaceJastrow | private |
| TwoBody_rhoG | kSpaceJastrow | private |
| TwoBodyCoefs | kSpaceJastrow | private |
| TwoBodyGvecs | kSpaceJastrow | private |
| TwoBodyID | kSpaceJastrow | private |
| TwoBodyPhase | kSpaceJastrow | private |
| TwoBodySymmCoefs | kSpaceJastrow | private |
| TwoBodySymmType | kSpaceJastrow | private |
| TwoBodyVarMap | kSpaceJastrow | private |
| updateBuffer(ParticleSet &P, WFBufferType &buf, bool fromscratch=false) override | kSpaceJastrow | virtual |
| UpdateMode | WaveFunctionComponent | |
| ValueMatrix typedef | WaveFunctionComponent | |
| ValueType typedef | QMCTraits | |
| ValueVector typedef | WaveFunctionComponent | |
| Walker_t typedef | WaveFunctionComponent | |
| WaveFunctionComponent(const std::string &obj_name="") | WaveFunctionComponent | |
| WFBufferType typedef | WaveFunctionComponent | |
| writeVariationalParameters(hdf_archive &hout) | OptimizableObject | inlinevirtual |
| ~WaveFunctionComponent() | WaveFunctionComponent | virtual |
1.8.14